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4G4M
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BU of 4g4m by Molmil
Crystal structure of the de novo designed fluorinated peptide alpha4F3(6-13)
分子名称: 1,2-ETHANEDIOL, TETRAETHYLENE GLYCOL, alpha4F3(6-13)
著者Buer, B.C, Meagher, J.L, Stuckey, J.A, Marsh, E.N.G.
登録日2012-07-16
公開日2012-10-31
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Comparison of the structures and stabilities of coiled-coil proteins containing hexafluoroleucine and t-butylalanine provides insight into the stabilizing effects of highly fluorinated amino acid side-chains.
Protein Sci., 21, 2012
4G2W
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BU of 4g2w by Molmil
Crystal structure of PDE5A in complex with its inhibitor
分子名称: 5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Ren, J, Chen, T.T, Xu, Y.C.
登録日2012-07-13
公開日2013-06-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.
J.Med.Chem., 55, 2012
4G68
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BU of 4g68 by Molmil
Biochemical and structural insights into xylan utilization by the thermophilic bacteriumcaldanaerobius polysaccharolyticus
分子名称: ABC transporter, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-alpha-D-xylopyranose
著者Agarwal, V, Nair, S.K.
登録日2012-07-18
公開日2012-08-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biochemical and Structural Insights into Xylan Utilization by the Thermophilic Bacterium Caldanaerobius polysaccharolyticus.
J.Biol.Chem., 287, 2012
4G5J
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BU of 4g5j by Molmil
Crystal structure of EGFR kinase in complex with BIBW2992
分子名称: (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide, Epidermal growth factor receptor, N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide
著者Solca, F, Dahl, G, Zoephel, A, Bader, G, Sanderson, M, Klein, C, Kraemer, O, Himmelsbach, F, Haaksma, E, Adolf, G.R.
登録日2012-07-18
公開日2012-08-29
最終更新日2012-10-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Target Binding Properties and Cellular Activity of Afatinib (BIBW 2992), an Irreversible ErbB Family Blocker.
J.Pharmacol.Exp.Ther., 343, 2012
4GBD
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BU of 4gbd by Molmil
Crystal Structure Of Adenosine Deaminase From Pseudomonas Aeruginosa Pao1 with bound Zn and methylthio-coformycin
分子名称: (8R)-3-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol, PHOSPHATE ION, Putative uncharacterized protein, ...
著者Ho, M, Guan, R, Almo, S.C, Schramm, V.L.
登録日2012-07-27
公開日2013-06-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.975 Å)
主引用文献Methylthioadenosine deaminase in an alternative quorum sensing pathway in Pseudomonas aeruginosa.
Biochemistry, 51, 2012
3PE5
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BU of 3pe5 by Molmil
Three-dimensional Structure of protein A7VV38_9CLOT from Clostridium leptum DSM 753, Northeast Structural Genomics Consortium Target QlR103
分子名称: Uncharacterized protein
著者Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Wang, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2010-10-25
公開日2010-11-10
最終更新日2012-02-22
実験手法X-RAY DIFFRACTION (2.381 Å)
主引用文献Northeast Structural Genomics Consortium Target QlR103
To be published
4G84
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BU of 4g84 by Molmil
Crystal structure of human HisRS
分子名称: CHLORIDE ION, Histidine--tRNA ligase, cytoplasmic, ...
著者Wei, Z, Wu, J, Zhou, J.J, Yang, X.-L, Zhang, M, Schimmel, P.
登録日2012-07-21
公開日2012-09-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Internally Deleted Human tRNA Synthetase Suggests Evolutionary Pressure for Repurposing.
Structure, 20, 2012
4G8R
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BU of 4g8r by Molmil
Crystal Structure of a novel small molecule inactivator bound to plasminogen activator inhibitor-1
分子名称: (2S)-3-({[3-(trifluoromethyl)phenoxy]carbonyl}amino)propane-1,2-diyl bis(3,4,5-trihydroxybenzoate), Plasminogen activator inhibitor-1, SULFATE ION
著者Stuckey, J.A, Lawrence, D.A, Li, S.-H.
登録日2012-07-23
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Mechanistic characterization and crystal structure of a small molecule inactivator bound to plasminogen activator inhibitor-1.
Proc.Natl.Acad.Sci.USA, 110, 2013
4GDA
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BU of 4gda by Molmil
Circular Permuted Streptavidin A50/N49
分子名称: BIOTIN, ETHANOL, GLYCEROL, ...
著者Le Trong, I, Chu, V, Xing, Y, Lybrand, T.P, Stayton, P.S, Stenkamp, R.E.
登録日2012-07-31
公開日2013-06-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Structural consequences of cutting a binding loop: two circularly permuted variants of streptavidin.
Acta Crystallogr.,Sect.D, 69, 2013
4G9H
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BU of 4g9h by Molmil
Crystal structure of glutahtione s-transferase homolog from yersinia pestis, target EFI-501894, with bound glutathione
分子名称: GLUTATHIONE, GLYCEROL, Glutathione S-transferase
著者Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2012-07-23
公開日2012-08-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of glutahtione s-transferase homolog from yersinia pestis, target efi-501894, with bound glutathione
To be Published
4GF0
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BU of 4gf0 by Molmil
Crystal structure of glutahtione transferase homolog from sulfitobacter, TARGET EFI-501084, with bound glutathione
分子名称: CHLORIDE ION, GLUTATHIONE, Glutathione S-transferase
著者Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2012-08-02
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of glutahtione transferase homolog from sulfitobacter, TARGET EFI-501084, with bound glutathione
To be Published
3MER
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BU of 3mer by Molmil
Crystal Structure of the methyltransferase Slr1183 from Synechocystis sp. PCC 6803, Northeast Structural Genomics Consortium Target SgR145
分子名称: Slr1183 protein
著者Seetharaman, J, Chen, Y, Forouhar, F, Rossi, P, Sahdev, S, Xiao, R, Ciccosanti, C, Foote, E.L, Belote, R.L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2010-03-31
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Northeast Structural Genomics Consortium Target SgR145
To be Published
4GI0
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BU of 4gi0 by Molmil
Crystal structure of CD23 lectin domain mutant E249A
分子名称: GLYCEROL, Low affinity immunoglobulin epsilon Fc receptor
著者Yuan, D, Sutton, B.J, Dhaliwal, B.
登録日2012-08-08
公開日2013-06-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Ca2+-dependent Structural Changes in the B-cell Receptor CD23 Increase Its Affinity for Human Immunoglobulin E.
J.Biol.Chem., 288, 2013
4FSJ
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BU of 4fsj by Molmil
Crystal structure of the virus like particle of Flock House virus
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Speir, J.A, Chen, Z, Reddy, V.S, Johnson, J.E.
登録日2012-06-27
公開日2012-08-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural study of virus assembly intermediates reveals maturation event sequence and a staging position for externalized lytic peptides
to be published, 2012
4FT3
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BU of 4ft3 by Molmil
Crystal Structure of the CHK1
分子名称: 1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FTG
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BU of 4ftg by Molmil
The crystal structure of an AHNAK peptide in complex with the S100A10/AnxA2 heterotetramer
分子名称: Annexin A2, ISOPROPYL ALCOHOL, Neuroblast differentiation-associated protein AHNAK, ...
著者Ozorowski, G, Luecke, H.
登録日2012-06-27
公開日2013-01-02
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.5054 Å)
主引用文献Structure of a C-terminal AHNAK peptide in a 1:2:2 complex with S100A10 and an acetylated N-terminal peptide of annexin A2.
Acta Crystallogr.,Sect.D, 69, 2013
4GKP
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BU of 4gkp by Molmil
Structure of the truncated neck and C-terminal motor homology domain of ViK1 from Candida glabrata
分子名称: Spindle pole body-associated protein VIK1
著者Duan, D, Allingham, J.S.
登録日2012-08-13
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Neck Rotation and Neck Mimic Docking in the Noncatalytic Kar3-associated Protein Vik1.
J.Biol.Chem., 287, 2012
4FUN
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BU of 4fun by Molmil
Structural basis for Zn2+-dependent intercellular adhesion in staphylococcal biofilms
分子名称: Accumulation associated protein, THIOCYANATE ION, ZINC ION
著者Conrady, D.G, Wilson, J.J, Herr, A.B.
登録日2012-06-28
公開日2013-01-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structural basis for Zn2+-dependent intercellular adhesion in staphylococcal biofilms.
Proc.Natl.Acad.Sci.USA, 110, 2013
1YHH
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BU of 1yhh by Molmil
Uncyclized precursor structure of S65A Y66S G67A GFP variant
分子名称: green fluorescent protein
著者Barondeau, D.P, Kassmann, C.J, Tainer, J.A, Getzoff, E.D.
登録日2005-01-07
公開日2005-02-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Understanding GFP Chromophore Biosynthesis: Controlling Backbone Cyclization and Modifying Post-translational Chemistry.
Biochemistry, 44, 2005
4FV5
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BU of 4fv5 by Molmil
Crystal Structure of the ERK2 complexed with EK9
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, N-[(1S)-2-hydroxy-1-phenylethyl]-4-(5-methyl-2-phenylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide, ...
著者Kang, Y.N, Stuckey, J.A, Xie, X.
登録日2012-06-29
公開日2012-08-29
最終更新日2014-09-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the ERK2 complexed with EK9
TO BE PUBLISHED
4GM0
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BU of 4gm0 by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant L403N
分子名称: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
著者Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J.
登録日2012-08-15
公開日2013-05-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate.
Biochemistry, 52, 2013
3MAR
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BU of 3mar by Molmil
Crystal structure of homodimeric R132H mutant of human cytosolic NADP(+)-dependent isocitrate dehydrogenase in complex with NADP
分子名称: Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Yang, B, Peng, Y, Ding, J.
登録日2010-03-24
公開日2010-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.41 Å)
主引用文献Molecular mechanisms of "off-on switch" of activities of human IDH1 by tumor-associated mutation R132H.
Cell Res., 20, 2010
4FSM
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BU of 4fsm by Molmil
Crystal Structure of the CHK1
分子名称: 4-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenol, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FT9
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Crystal Structure of the CHK1
分子名称: 1-(5-cyanopyrazin-2-yl)-3-isoquinolin-3-ylurea, SULFATE ION, Serine/threonine-protein kinase Chk1
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FTK
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Crystal Structure of the CHK1
分子名称: 3-(4'-hydroxybiphenyl-4-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-ol, ISOPROPYL ALCOHOL, SULFATE ION, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of the CHK1
To be Published

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